N-(benzylcarbamothioyl)benzamide

Base Information

• Chemical Name: N-(benzylcarbamothioyl)benzamide
• CAS No.: 4921-91-9
• Molecular Formula: C15H14N2OS
• Molecular Weight: 270.355
• NSC Number: 118974
• DSSTox Substance ID: DTXSID60351469
• Nikkaji Number: J1.282.914K
• ChEMBL ID: CHEMBL1478462
• Mol file: 4921-91-9.mol

Synonyms:N-(benzylcarbamothioyl)benzamide;4921-91-9;1-BENZOYL-3-BENZYLTHIOUREA;CHEMBL1478462;NSC118974;MLS000676251;SCHEMBL14096444;DTXSID60351469;HMS2601E23;N-(Benzylaminothiocarbonyl)benzamide;BDBM50443481;STK133694;AKOS001051218;N-[(benzylamino)carbonothioyl]benzamide;NSC-118974;SMR000271982;EN300-18207124;SR-01000254239;SR-01000254239-1;Z56061885;F0300-0203

Chemical Property of N-(benzylcarbamothioyl)benzamide

Chemical Property:

• Refractive Index: 1.643
• Density: 1.224 g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 270.08268425
• Heavy Atom Count: 19
• Complexity: 307

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CNC(=S)NC(=O)C2=CC=CC=C2

Technology Process of N-(benzylcarbamothioyl)benzamide

There total 12 articles about N-(benzylcarbamothioyl)benzamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

Benzoyl isothiocyanate (532-55-8) + benzylamine (100-46-9) → N-benzoyl-N'-benzylthiourea (4921-91-9)

Guidance literature:

In tetrahydrofuran; at 60 - 65 ℃; for 0.166667h; Microwave irradiation;

DOI:10.1016/j.ejmech.2013.10.012

Reference yield: 81.0%

N,N-diethyl-N'-benzoyl-thiourea (58328-36-2) + benzylamine (100-46-9) → N-benzoyl-N'-benzylthiourea (4921-91-9)

Guidance literature:

With potassium fluoride on basic alumina; In acetone; for 0.0333333h; Irradiation;

DOI:10.1016/S0040-4039(00)00047-2

Reference yield: 60.0%

Benzyl-((Z)-2-nitro-1-phenyl-vinyl)-amine (95512-63-3) + Benzoyl isothiocyanate (532-55-8) → N-benzoyl-N'-benzylthiourea (4921-91-9) + 1-benzyl-5-nitro-2,6-diphenyl-4(1H)-pyrimidinethione + N-benzoyl-3-benzylamino-2-nitro-3-phenylpropenethioamide

Guidance literature:

In benzene; for 18h; Heating;

DOI:10.1246/bcsj.59.3871

upstream raw materials:

ammonium thiocyanate

benzoyl chloride

benzylamine

Benzoyl isothiocyanate

Downstream raw materials:

N-benzoyl-N’,N”-dibenzylguanidine

1-benzyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

C₁₇H₁₇N₃O₃

N-benzyl-S-<2-(4(5)-imidazolyl)ethyl>isothiourea

Refernces

• 1、 Kammela, Prasad Rao,Seelam, Mohan,Shaik, Bajivali,Tamminana, Ramana. "Iodine-mediated multi-component reactions: Readily access to tetrazoles and guanidines". supporting information. p. 382 - 388. Retrieved 2021/09/07.
• 2、 -. "ANTIVIRAL COMPOUNDS AND USE THEREOF". Page/Page column 36-37. . Retrieved 2019/10/04.